4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2-pyridin-3-yl-2H-pyrrol-5-one
Formula:C23H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2-pyridin-3-yl-2H-pyrrol-5-one is a drug-like molecule.
| MolName | 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2-pyridin-3-yl-2H-pyrrol-5-one |
| MolecularFormula | C23H17N3O3 |
| Smiles | OC(C(N(C1c2cnccc2)c2ncccc2)=O)=C1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C23H17N3O3/c27-18(12-11-16-7-2-1-3-8-16)20-21(17-9-6-13-24-15-17)26(23(29)22(20)28)19-10-4-5-14-25-19/h1-15,21,28H/t21-/m0/s1 |
| InChIK | GLTGZJUPUNXXEF-NRFANRHFSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.126992 |
| CLogP | 2.2896 |
| CLogS | -3.638 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.87 |
| Relative PSA | 0.22233 |
| PolarSurfaceArea | 83.39 |
| Druglikeness | 3.387 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 4-acyl-3-azoline-2-one-3-ol |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2-pyridin-3-yl-2H-pyrrol-5-one | 2 - 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-pyridin-2-yl-2-pyridin-3-yl-2H-pyrrol-5-one
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